ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004092
RECORD_TITLE: METHYL 3-HYDROXY-2-PYRAZINECARBOXYLATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: METHYL 3-HYDROXY-2-PYRAZINECARBOXYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₆N₂O₃
CH$EXACT_MASS: 154.03784
CH$SMILES: COC(=O)c(n1)c(O)ncc1
CH$IUPAC: InChI=1S/C6H6N2O3/c1-11-6(10)4-5(9)8-3-2-7-4/h2-3H,1H3,(H,8,9)
CH$LINK: INCHIKEY YVUBNSIFWJGXBQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90363833

AC$INSTRUMENT: HITACHI RMU-6E
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0f6w-9200000000-4899bcd8452f9f98c28e
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  15 16.7 167
  26 4.1 41
  27 3.4 34
  28 10.5 105
  29 5.2 52
  31 2.7 27
  38 3.5 35
  39 1.06 11
  40 56.6 566
  41 6.6 66
  42 7.8 78
  44 0.3 3
  45 5.7 57
  51 2.7 27
  52 5.2 52
  54 0.33 3
  59 9 90
  66 3.2 32
  67 12 120
  68 5.42 54
  69 6.8 68
  70 3.9 39
  94 29.1 291
  95 3.32 33
  96 99.99 999
  97 5.4 54
  123 10.7 107
  124 4.38 44
  125 2.9 29
  154 52 520
  155 6.1 61
//